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3-Benzyl-4-methylene-5,5-biscyano-7-octen-2-one
SpectraBase Compound ID JgMepR4YnDs
InChI InChI=1S/C18H18N2O/c1-4-10-18(12-19,13-20)14(2)17(15(3)21)11-16-8-6-5-7-9-16/h4-9,17H,1-2,10-11H2,3H3
InChIKey ZLQVFGXVIALXLY-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C18H18N2O
Exact Mass 278.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMGCuKf5rAh
Name 3-Benzyl-4-methylene-5,5-biscyano-7-octen-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C18H18N2O
InChI InChI=1S/C18H18N2O/c1-4-10-18(12-19,13-20)14(2)17(15(3)21)11-16-8-6-5-7-9-16/h4-9,17H,1-2,10-11H2,3H3
InChIKey ZLQVFGXVIALXLY-UHFFFAOYSA-N
Molecular Weight 278.355 g/mol
SMILES CC(C(C(C(CC=C)(C#N)C#N)=C)Cc1ccccc1)=O
SPLASH splash10-0006-9010000000-ba81e393774b0e949c33
Source of Spectrum KC-61-4163-5
Synonyms 2-allyl-2-[1-(1-benzyl-2-oxopropyl)vinyl]malononitrile
Wiley ID 1628860